Atomic vibrations in orientationally disordered systems. II. Hexagonal ice

Abstract

For pt. I see ibid. vol. 5, 1017 (1972). The atomic vibrational properties of H2O and D2O ice Ih are investigated, the disorder of atomic structure being taken fully into account. The approach employed is numerical in character and based upon the investigation of the properties of sample structures. Broad agreement with experiment is obtained, and an interpretation of the characteristics of normal modes in the various spectral bands given.